Cas no 62315-34-8 (Benzenehexanoic acid, 3-methyl-)
62315-34-8 structure
Product Name:Benzenehexanoic acid, 3-methyl-
CAS No:62315-34-8
MF:C13H18O2
MW:206.280824184418
CID:449584
PubChem ID:66792617
Update Time:2025-04-19
Benzenehexanoic acid, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenehexanoic acid, 3-methyl-
- 6-(3-methylphenyl)hexanoic acid
- 62315-34-8
- SCHEMBL765851
- DTXSID80735787
-
- Inchi： 1S/C13H18O2/c1-11-6-5-8-12(10-11)7-3-2-4-9-13(14)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,15)
- InChI Key： WQNWFXYQDSMGNN-UHFFFAOYSA-N
- SMILES： OC(CCCCCC1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenehexanoic acid, 3-methyl- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
62315-34-8 (Benzenehexanoic acid, 3-methyl-) Related Products
- 501-52-0(3-Phenylpropionic acid)
- 4165-96-2(3-phenylpentanedioic acid)
- 3443-45-6(1-Pyrenebutyric acid)
- 4521-22-6(4-(p-Tolyl)butyric acid)
- 5581-75-9(6-Phenylhexanoic acid)
- 1505-50-6(3-(4-Methylphenyl)propanoic Acid)
- 782-28-5(2-Naphthalenebutanoic Acid)
- 1821-12-1(4-Phenylbutyric acid)
- 2270-20-4(5-Phenylvaleric acid)
- 26547-51-3(8-Phenyloctanoic acid)
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